Package: src:gpaw Version: 25.1.0-1 Severity: serious Tags: ftbfs forky sid
Dear maintainer: During a rebuild of all packages in unstable, this package failed to build. Below you will find the last part of the build log (probably the most relevant part, but not necessarily). If required, the full build log is available here: https://people.debian.org/~sanvila/build-logs/202510/ About the archive rebuild: The build was made on virtual machines from AWS, using sbuild and a reduced chroot with only build-essential packages. If you cannot reproduce the bug please contact me privately, as I am willing to provide ssh access to a virtual machine where the bug is fully reproducible. If this is really a bug in one of the build-depends, please use reassign and add an affects on src:gpaw, so that this is still visible in the BTS web page for this package. Thanks. -------------------------------------------------------------------------------- [...] debian/rules clean dh clean --buildsystem=pybuild --with python3 dh_auto_clean -O--buildsystem=pybuild I: pybuild base:311: python3.13 setup.py clean /usr/lib/python3/dist-packages/setuptools/__init__.py:94: _DeprecatedInstaller: setuptools.installer and fetch_build_eggs are deprecated. !! ******************************************************************************** Requirements should be satisfied by a PEP 517 installer. If you are using pip, you can try `pip install --use-pep517`. ******************************************************************************** !! dist.fetch_build_eggs(dist.setup_requires) /usr/lib/python3/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. [... snipped ...] mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/mpa.c -o build/temp.linux-x86_64-cpython-313/c/mpa.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/mpi.c -o build/temp.linux-x86_64-cpython-313/c/mpi.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/operators.c -o build/temp.linux-x86_64-cpython-313/c/operators.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/plane_wave.c -o build/temp.linux-x86_64-cpython-313/c/plane_wave.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/plt.c -o build/temp.linux-x86_64-cpython-313/c/plt.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/point_charges.c -o build/temp.linux-x86_64-cpython-313/c/point_charges.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/spline.c -o build/temp.linux-x86_64-cpython-313/c/spline.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/symmetry.c -o build/temp.linux-x86_64-cpython-313/c/symmetry.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/tetra.c -o build/temp.linux-x86_64-cpython-313/c/tetra.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/transformers.c -o build/temp.linux-x86_64-cpython-313/c/transformers.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/utilities.c -o build/temp.linux-x86_64-cpython-313/c/utilities.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/wigner_seitz.c -o build/temp.linux-x86_64-cpython-313/c/wigner_seitz.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/woperators.c -o build/temp.linux-x86_64-cpython-313/c/woperators.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/ensemble_gga.c -o build/temp.linux-x86_64-cpython-313/c/xc/ensemble_gga.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/libvdwxc.c -o build/temp.linux-x86_64-cpython-313/c/xc/libvdwxc.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/libxc.c -o build/temp.linux-x86_64-cpython-313/c/xc/libxc.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/m06l.c -o build/temp.linux-x86_64-cpython-313/c/xc/m06l.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/pbe.c -o build/temp.linux-x86_64-cpython-313/c/xc/pbe.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/pw91.c -o build/temp.linux-x86_64-cpython-313/c/xc/pw91.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/revtpss.c -o build/temp.linux-x86_64-cpython-313/c/xc/revtpss.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/revtpss_c_pbe.c -o build/temp.linux-x86_64-cpython-313/c/xc/revtpss_c_pbe.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/rpbe.c -o build/temp.linux-x86_64-cpython-313/c/xc/rpbe.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/tpss.c -o build/temp.linux-x86_64-cpython-313/c/xc/tpss.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/vdw.c -o build/temp.linux-x86_64-cpython-313/c/xc/vdw.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/xc.c -o build/temp.linux-x86_64-cpython-313/c/xc/xc.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS -DGPAW_NO_UNDERSCORE_CSCALAPACK -DGPAW_MPI_INPLACE -DPARALLEL -DGPAW_WITH_FFTW -DGPAW_WITH_SL -DGPAW_WITH_ELPA -UNDEBUG -I/usr/include/elpa -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -c c/xc/xc_mgga.c -o build/temp.linux-x86_64-cpython-313/c/xc/xc_mgga.o -Wall -Wno-unknown-pragmas -std=c99 mpicc -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro [too-long-redacted] cpython-313-x86_64-linux-gnu.so Build temp: build/temp.linux-x86_64-cpython-313 Build lib: /<<PKGBUILDDIR>>/.pybuild/cpython3_3.13/build running build_scripts creating build/scripts-3.13 copying and adjusting tools/gpaw-analyse-basis -> build/scripts-3.13 copying and adjusting tools/gpaw-basis -> build/scripts-3.13 copying and adjusting tools/gpaw-plot-parallel-timings -> build/scripts-3.13 copying and adjusting tools/gpaw-runscript -> build/scripts-3.13 copying and adjusting tools/gpaw-setup -> build/scripts-3.13 copying and adjusting tools/gpaw-upfplot -> build/scripts-3.13 changing mode of build/scripts-3.13/gpaw-analyse-basis from 644 to 755 changing mode of build/scripts-3.13/gpaw-basis from 644 to 755 changing mode of build/scripts-3.13/gpaw-plot-parallel-timings from 644 to 755 changing mode of 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__________________________________ @pytest.mark.ci @pytest.mark.serial def test_aeatom(): Z = 79 # gold atom kwargs = dict(ngpts=5000, alpha2=1000 * Z**2, ngauss=200) # Test Schroedinger equation: aea = AllElectronAtom(Z, log=None) aea.initialize(**kwargs) errors = [] for channel in aea.channels: # Basis set of Gaussians: channel.solve(-Z) for n in range(7): e = channel.e_n[n] e0 = -0.5 * Z**2 / (n + channel.l + 1)**2 errors.append(abs(e / e0 - 1)) # Finite-difference: channel.solve2(-Z) for n in range(7): e = channel.e_n[n] e0 = -0.5 * Z**2 / (n + channel.l + 1)**2 errors.append(abs(e / e0 - 1)) print(max(errors)) assert max(errors) == pytest.approx(0, abs=2.0e-5) # Test Dirac equation: aea = AllElectronAtom(Z, dirac=True, log=None) > aea.initialize(**kwargs) gpaw/test/test_aeatom.py:36: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ gpaw/atom/aeatom.py:562: in initialize basis = GaussianBasis(leff, alpha_B, self.rgd, eps) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = <gpaw.atom.aeatom.GaussianBasis object at 0x7fa922f77230> l = -0.18289639780608224 alpha_B = array([1.00000000e-02, 1.10712653e-02, 1.22572915e-02, 1.35703726e-02, 1.50241195e-02, 1.66336012e-02, 1.841550...3.38899275e+06, 3.75204377e+06, 4.15398720e+06, 4.59898943e+06, 5.09166320e+06, 5.63711540e+06, 6.24100000e+06]) rgd = <gpaw.atom.radialgd.AERadialGridDescriptor object at 0x7fa922ecf9b0> eps = 1e-07 def __init__(self, l, alpha_B, rgd, eps=1.0e-7): """Guassian basis set for spherically symmetric atom. l: int Angular momentum quantum number. alpha_B: ndarray Exponents. rgd: GridDescriptor Grid descriptor. eps: float Cutoff for eigenvalues of overlap matrix.""" self.l = l self.alpha_B = alpha_B self.rgd = rgd self.eps = eps A_BB = np.add.outer(alpha_B, alpha_B) M_BB = np.multiply.outer(alpha_B, alpha_B) # Overlap matrix: S_BB = (2 * M_BB**0.5 / A_BB)**(l + 1.5) # Kinetic energy matrix: T_BB = 2**(l + 2.5) * M_BB**(0.5 * l + 0.75) / gamma(l + 1.5) * ( gamma(l + 2.5) * M_BB / A_BB**(l + 2.5) - 0.5 * (l + 1) * gamma(l + 1.5) / A_BB**(l + 0.5) + 0.25 * (l + 1) * (2 * l + 1) * gamma(l + 0.5) / A_BB**(l + 0.5)) # Derivative matrix: D_BB = 2**(l + 2.5) * M_BB**(0.5 * l + 0.75) / gamma(l + 1.5) * ( 0.5 * (l + 1) * gamma(l + 1) / A_BB**(l + 1) - gamma(l + 2) * alpha_B / A_BB**(l + 2)) # 1/r matrix: K_BB = 2**(l + 2.5) * M_BB**(0.5 * l + 0.75) / gamma(l + 1.5) * ( 0.5 * gamma(l + 1) / A_BB**(l + 1)) # Find set of linearly independent functions. # We have len(alpha_B) gaussians (index B) and self.nbasis # linearly independent functions (index b). s_B, U_BB = eigh(S_BB) self.nbasis = int((s_B > eps).sum()) Q_Bb = np.dot(U_BB[:, -self.nbasis:], np.diag(s_B[-self.nbasis:]**-0.5)) self.T_bb = np.dot(np.dot(Q_Bb.T, T_BB), Q_Bb) self.D_bb = np.dot(np.dot(Q_Bb.T, D_BB), Q_Bb) self.K_bb = np.dot(np.dot(Q_Bb.T, K_BB), Q_Bb) r_g = rgd.r_g with seterr(divide='ignore'): # Avoid errors in debug mode from division by zero: gaussians_Bg = np.exp(-np.outer(alpha_B, r_g**2)) * r_g**l prefactors_B = (2 * (2 * alpha_B)**(l + 1.5) / gamma(l + 1.5))**0.5 > self.basis_bg = np.dot(Q_Bb.T, prefactors_B[:, None] * gaussians_Bg) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ E FloatingPointError: invalid value encountered in dot gpaw/atom/aeatom.py:84: FloatingPointError ----------------------------- Captured stdout call ----------------------------- Z: 79 Name: Gold Symbol: Au XC-functional: LDA Equation: Schrödinger Grid points: 5000 (0.00000, 0.00002, 0.00004, ..., 41.763, 45.569) Exponents: 200 (0.010, 0.011, ..., 5637115.398, 6241000.000) Basis functions: 49, 54, 58, 62 (s, p, d, f) 2.5000917900364072e-06 Z: 79 Name: Gold Symbol: Au XC-functional: LDA Equation: Dirac Grid points: 5000 (0.00000, 0.00002, 0.00004, ..., 41.763, 45.569) Exponents: 200 (0.010, 0.011, ..., 5637115.398, 6241000.000) ================================ GPAW-MPI stuff ================================ size: 1 =========================== short test summary info ============================ FAILED gpaw/test/test_aeatom.py::test_aeatom - FloatingPointError: invalid va... ================ 1 failed, 76 passed, 1574 deselected in 51.74s ================ E: pybuild pybuild:389: test: plugin distutils failed with: exit code=1: cd /<<PKGBUILDDIR>>/.pybuild/cpython3_3.13/build; python3.13 -m pytest -v -m ci dh_auto_test: error: pybuild --test --test-pytest -i python{version} -p 3.13 --test-pytest --test-args="-v -m ci" returned exit code 13 make[1]: *** [debian/rules:10: override_dh_auto_test] Error 25 make[1]: Leaving directory '/<<PKGBUILDDIR>>' make: *** [debian/rules:7: binary] Error 2 dpkg-buildpackage: error: debian/rules binary subprocess returned exit status 2 --------------------------------------------------------------------------------
